BDBM50045599 CHEMBL3314313::US9540323, 142::US9540323, example 142

SMILES: CC1(C)CN(c2c1c(-c1ccc(Cl)s1)c(F)cc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=PNBGWUVDTPJVHK-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50045599   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50045599 (CHEMBL3314313 | US9540323, 142 | US9540323, exampl...) Show SMILES CC1(C)CN(c2c1c(-c1ccc(Cl)s1)c(F)cc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H22ClF4N3O3S/c1-27(2)14-36(25-20(37)13-17(30)23(24(25)27)21-11-12-22(29)40-21)19-6-4-3-5-18(19)35-26(38)34-15-7-9-16(10-8-15)39-28(31,32)33/h3-13,37H,14H2,1-2H3,(H2,34,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	9.5	-10.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q289141P
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50045599 (CHEMBL3314313 | US9540323, 142 | US9540323, exampl...) Show SMILES CC1(C)CN(c2c1c(-c1ccc(Cl)s1)c(F)cc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H22ClF4N3O3S/c1-27(2)14-36(25-20(37)13-17(30)23(24(25)27)21-11-12-22(29)40-21)19-6-4-3-5-18(19)35-26(38)34-15-7-9-16(10-8-15)39-28(31,32)33/h3-13,37H,14H2,1-2H3,(H2,34,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay				J Med Chem 57: 6150-64 (2014) Article DOI: 10.1021/jm5006226 BindingDB Entry DOI: 10.7270/Q20Z74XP
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50045599 (CHEMBL3314313 | US9540323, 142 | US9540323, exampl...) Show SMILES CC1(C)CN(c2c1c(-c1ccc(Cl)s1)c(F)cc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H22ClF4N3O3S/c1-27(2)14-36(25-20(37)13-17(30)23(24(25)27)21-11-12-22(29)40-21)19-6-4-3-5-18(19)35-26(38)34-15-7-9-16(10-8-15)39-28(31,32)33/h3-13,37H,14H2,1-2H3,(H2,34,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 10 uM ADP-induced platelet aggregation preincubated for 1 min foll...				J Med Chem 57: 6150-64 (2014) Article DOI: 10.1021/jm5006226 BindingDB Entry DOI: 10.7270/Q20Z74XP
					More data for this Ligand-Target Pair